Phosphatidylinositol 16:0-18:1
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT001964
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT001964 contains the MS2 mass spectrum of Phosphatidylinositol 16:0-18:1 with the InChIkey IBBOEPTXNHPBRH-AFOMSZMQSA-N.
Source: Phosphatidylinositol 16:0-18:1
Chemical Info
| InChI | InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h26,28,35,38-43,46-50H,3-25,27,29-34H2,1-2H3,(H,51,52)/b28-26-/t35?,38-,39-,40+,41-,42-,43-/m1/s1 |
|---|---|
| SMILES | C(CCC(=O)OCC(OC(=O)CCC=CCCCCCCCCCCCCC)COP(OC(C1O)C(C(C(C1O)O)O)O)(O)=O)CCCCCCCCCCCC |
| InChI Key | IBBOEPTXNHPBRH-AFOMSZMQSA-N |
| Molecular Formula | C43H81O13P |
| Exact Mass | 836.541 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 33902d5d-7efd-4ccd-b9d4-159b1d4104c0 |
| Package id | msbnk-chubu_univ-ut001964 |
| Resource type | HTML |
| State | active |